[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea

C11H21N3O3 — CID 62918442

IUPAC[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CCC(O)C1
InChIInChI=1S/C11H21N3O3/c1-7(2)5-9(13-11(12)17)10(16)14-4-3-8(15)6-14/h7-9,15H,3-6H2,1-2H3,(H3,12,13,17)
InChIKeyILLZXUWOOLQVHS-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.34
Rot. Bonds4

About [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea

[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea (PubChem CID 62918442) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
PubChem CID62918442
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CCC(O)C1
InChIInChI=1S/C11H21N3O3/c1-7(2)5-9(13-11(12)17)10(16)14-4-3-8(15)6-14/h7-9,15H,3-6H2,1-2H3,(H3,12,13,17)
InChIKeyILLZXUWOOLQVHS-UHFFFAOYSA-N
XLogP-0.34
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10709372
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135
(3R)-1-[2-(carbamoylamino)-4-methylpentanoyl]piperidine-3-carboxylic acid
CID 81119735
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 107225603
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 112627501
1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144705

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea (CID 62918442) is [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea is CC(C)CC(NC(N)=O)C(=O)N1CCC(O)C1.
What is the InChIKey of [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The InChIKey is ILLZXUWOOLQVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)5-9(13-11(12)17)10(16)14-4-3-8(15)6-14/h7-9,15H,3-6H2,1-2H3,(H3,12,13,17).
What are the key properties of [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea has a molecular weight of 243.31 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 62918442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).